2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide

C19H17N5O2 — CID 42942471

IUPAC2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide
SMILESNC(=O)CN1c2ccccc2C(=O)NC1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H17N5O2/c20-17(25)12-23-16-9-5-4-8-15(16)19(26)22-18(23)13-10-21-24(11-13)14-6-2-1-3-7-14/h1-11,18H,12H2,(H2,20,25)(H,22,26)
InChIKeyDNJJEUBDOOOXBU-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.61
Rot. Bonds4

About 2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide

2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide (PubChem CID 42942471) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is 2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide
PubChem CID42942471
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Name2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide
SMILESNC(=O)CN1c2ccccc2C(=O)NC1c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H17N5O2/c20-17(25)12-23-16-9-5-4-8-15(16)19(26)22-18(23)13-10-21-24(11-13)14-6-2-1-3-7-14/h1-11,18H,12H2,(H2,20,25)(H,22,26)
InChIKeyDNJJEUBDOOOXBU-UHFFFAOYSA-N
XLogP1.61
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methylsulfanylphenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
CID 42942465
2-[(2S)-2-(3-chlorophenyl)-4-oxo-2,3-dihydroquinazolin-1-yl]acetamide
CID 25494242
1-methyl-2-[1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]-2,3-dihydroquinazolin-4-one
CID 146124492
8-methyl-2-(1-phenylpyrazol-4-yl)-2,3-dihydro-1H-quinazolin-4-one
CID 42886890
2-(1-phenylpyrazol-4-yl)-1,3-thiazinane-4-carboxylic acid
CID 60920769
2-[1-(4-fluorophenyl)pyrazol-4-yl]-3-(furan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 172970558
4-amino-5-(1-phenylpyrazol-4-yl)-5H-1,3-oxazol-2-one
CID 114239573
2-[1-(4-chlorophenyl)pyrazol-4-yl]-3-(pyridin-3-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 48913707
2-N,6-N-bis[(1-phenylpyrazol-4-yl)methyl]pyridine-2,6-dicarboxamide
CID 39058604
3-amino-N-[(1-phenylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 66008582
2-[4-(2-phenylphenyl)pyrazol-1-yl]acetamide
CID 121499014
1-phenylpyrazole-4-carbonyl iodide
CID 130257311

Frequently Asked Questions

What is the IUPAC name of 2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide?
The IUPAC name of 2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide (CID 42942471) is 2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide.
What is the SMILES notation for 2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide?
The canonical SMILES for 2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide is NC(=O)CN1c2ccccc2C(=O)NC1c1cnn(-c2ccccc2)c1.
What is the InChIKey of 2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide?
The InChIKey is DNJJEUBDOOOXBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c20-17(25)12-23-16-9-5-4-8-15(16)19(26)22-18(23)13-10-21-24(11-13)14-6-2-1-3-7-14/h1-11,18H,12H2,(H2,20,25)(H,22,26).
What are the key properties of 2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide?
2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide has a molecular weight of 347.38 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-oxo-2-(1-phenylpyrazol-4-yl)-2,3-dihydroquinazolin-1-yl]acetamide is sourced from PubChem (CID 42942471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).